Hydrochloric Acid

Hydrochloric Acid

SCHEMBL2196237

Cl.Cn1ccnc1S(=O)(=O)Nc1cccc(-c2nc(C(C)(C)C)sc2-c2ccnc(N)n2)c1F

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 known ✓ O60674 1/20 0.75
PRKD3 known ✓ O94806 1/20 0.75
ABL1 known ✓ P00519 1/20 0.75
LCK known ✓ P06239 1/20 0.75
MET known ✓ P08581 1/20 0.75
CDK4 known ✓ P11802 1/20 0.75
CDK6 known ✓ Q00534 1/20 0.75
HDAC3 known ✓ O15379 1/20 0.50
HDAC1 known ✓ Q13547 1/20 0.50
HDAC7 known ✓ Q8WUI4 1/20 0.50
HDAC2 known ✓ Q92769 1/20 0.50
HDAC6 known ✓ Q9UBN7 1/20 0.50
BRAF P15056 19/20 0.75
NR1I2 O75469 7/20 0.75
PLK4 O00444 1/20 0.75
EPHB6 O15197 1/20 0.75
RIPK2 O43353 1/20 0.75
ULK1 O75385 1/20 0.75
ERN1 O75460 1/20 0.75
KRAS P01116 1/20 0.75

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12350725 0.99 BRAF (0.76) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL2192986 0.89 BRAF (0.62) BRAFNR1I2PLK4EPHB6RIPK2
Hydrochloric Acid SCHEMBL2193055 0.87 BRAF (0.73) BRAFNR1I2PLK4EPHB6RIPK2
Hydrochloric Acid SCHEMBL2190113 0.87 BRAF (0.73) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL12350719 0.86 BRAF (0.74) BRAFNR1I2PLK4EPHB6RIPK2
Hydrochloric Acid SCHEMBL2194105 0.86 BRAF (0.77) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL12350735 0.86 BRAF (0.74) BRAFNR1I2PLK4EPHB6RIPK2
Dabrafenib SCHEMBL29350038 0.86 BRAF (1.00) BRAFNR1I2PLK4EPHB6RIPK2
Dabrafenib SCHEMBL29353365 0.86 BRAF (1.00) BRAFNR1I2PLK4EPHB6RIPK2
SCHEMBL2193568 0.86 BRAF (0.81) BRAFNR1I2PLK4EPHB6RIPK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2017-03-16 US disclosed
EP-3106462-A1 BENZENE SULFONAMIDE THIAZOLE AND OXAZOLE COMPOUNDS Novartis AG (CH) 2016-12-21 EP disclosed
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2016-03-10 US disclosed
US-9233956-B2 Benzene sulfonamide thiazole and oxazole compounds NOVARTIS AG (CH) 2016-01-12 US disclosed
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2014-03-20 US disclosed
US-8642759-B2 Benzene sulfonamide thiazole and oxazole compounds GLAXOSMITHKLINE LLC (US) 2014-02-04 US disclosed
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds GLAXOSMITHKLINE LLC (US) 2013-06-06 US disclosed
US-8415345-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo SmithKline LLC (US) 2013-04-09 US disclosed
US-7994185-B2 Benzene sulfonamide thiazole and oxazole compounds Glaxo Smith Kline LLC (US) 2011-08-09 US disclosed
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds NOVARTIS AG (CH) 2011-07-14 US disclosed
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds NOVARTIS AG (CH) 2009-12-03 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110172215-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 JAK2 17/4885PRKD3 3641/4885ABL1 183/4885
US-20170073341-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 JAK2 17/4885PRKD3 3641/4885ABL1 183/4885
US-20160068523-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 JAK2 17/4885PRKD3 3641/4885ABL1 183/4885
US-20140080851-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 JAK2 17/4885PRKD3 3641/4885ABL1 183/4885
US-20130144055-A1 Benzene Sulfonamide Thiazole And Oxazole Compounds STS, TST, TPST2 JAK2 17/4885PRKD3 3641/4885ABL1 183/4885
US-20090298815-A1 Benzene Sulfonamide Thiazole and Oxazole Compounds STS, TST, TPST2 JAK2 17/4885PRKD3 3641/4885ABL1 183/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.